Task 38698071

Name test_146-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND0340_0
Workunit 31638604
Created 2 Nov 2026, 3:03:41 UTC
Sent 2 Nov 2026, 3:03:43 UTC
Report deadline 7 Nov 2026, 3:03:43 UTC
Received 2 Nov 2026, 3:39:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602552
Run time 34 min 3 sec
CPU time 33 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.27 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:04:55 (40328): wrapper (7.9.26016): starting
14:04:55 (40328): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
14:04:56 (40328): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:04:56 (40328): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:38:18 (40328): C:/Windows/system32/cmd.exe exited; CPU time 1998.328125
14:38:18 (40328): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 43808283 bytes.
Dumping objects ->
{3835596} normal block at 0x000001EF129B8700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835585} normal block at 0x000001EF129B87E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835574} normal block at 0x000001EF128E7070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835563} normal block at 0x000001EF128E7000, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835552} normal block at 0x000001EF128E6F90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835521} normal block at 0x000001EF1457CED0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835508} normal block at 0x000001EF128DFAF0, 8 bytes long.
 Data: <  B &#239;   > 00 00 42 14 EF 01 00 00 
{3833971} normal block at 0x000001EF128DFDC0, 8 bytes long.
 Data: <&#176;g] &#239;   > B0 67 5D 14 EF 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001EF128E3E50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001EF128D7E90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001EF128E7BF0, 16 bytes long.
 Data: < &#135;&#142; &#239;           > 08 87 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001EF128E8320, 16 bytes long.
 Data: <&#224;&#134;&#142; &#239;           > E0 86 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001EF128E17D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001EF128E8280, 16 bytes long.
 Data: <&#184;&#134;&#142; &#239;           > B8 86 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EF128E8230, 16 bytes long.
 Data: < &#134;&#142; &#239;           > 90 86 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EF128E8190, 16 bytes long.
 Data: <h&#134;&#142; &#239;           > 68 86 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EF128E7920, 16 bytes long.
 Data: <@&#134;&#142; &#239;           > 40 86 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EF128E71C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001EF128E7DD0, 16 bytes long.
 Data: <&#232;&#175;  &#239;           > E8 AF 8D 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EF128E1950, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001EF128E8140, 16 bytes long.
 Data: <&#192;&#175;  &#239;           > C0 AF 8D 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EF128E80F0, 16 bytes long.
 Data: < &#175;  &#239;           > 98 AF 8D 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EF128E8370, 16 bytes long.
 Data: <p&#175;  &#239;           > 70 AF 8D 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EF128E7A10, 16 bytes long.
 Data: <H&#175;  &#239;           > 48 AF 8D 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EF128E7830, 16 bytes long.
 Data: < &#175;  &#239;           > 20 AF 8D 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EF128E80A0, 16 bytes long.
 Data: <&#248;&#174;  &#239;           > F8 AE 8D 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EF128E1A10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001EF128E7E20, 16 bytes long.
 Data: <&#208;&#174;  &#239;           > D0 AE 8D 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EF128DAED0, 320 bytes long.
 Data: < ~&#142; &#239;     &#142; &#239;   > 20 7E 8E 12 EF 01 00 00 10 1A 8E 12 EF 01 00 00 
{281} normal block at 0x000001EF128E8050, 16 bytes long.
 Data: < &#134;&#142; &#239;           > 20 86 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EF128E79C0, 16 bytes long.
 Data: <&#248;&#133;&#142; &#239;           > F8 85 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EF128E1170, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001EF128E7D30, 16 bytes long.
 Data: <&#208;&#133;&#142; &#239;           > D0 85 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EF128E1230, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001EF128E74C0, 16 bytes long.
 Data: < &#133;&#142; &#239;           > 18 85 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EF128E7FB0, 16 bytes long.
 Data: <&#240;&#132;&#142; &#239;           > F0 84 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EF128E7D80, 16 bytes long.
 Data: <&#200;&#132;&#142; &#239;           > C8 84 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EF128E7F60, 16 bytes long.
 Data: <&#160;&#132;&#142; &#239;           > A0 84 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EF128E7AB0, 16 bytes long.
 Data: <x&#132;&#142; &#239;           > 78 84 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EF128E7E70, 16 bytes long.
 Data: <P&#132;&#142; &#239;           > 50 84 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EF128E81E0, 16 bytes long.
 Data: <&#160;r&#142; &#239;           > A0 72 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EF128E72A0, 40 bytes long.
 Data: <&#224; &#142; &#239;   &#208;&#206;W &#239;   > E0 81 8E 12 EF 01 00 00 D0 CE 57 14 EF 01 00 00 
{267} normal block at 0x000001EF128E7560, 16 bytes long.
 Data: <0&#132;&#142; &#239;           > 30 84 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EF128E78D0, 16 bytes long.
 Data: < &#132;&#142; &#239;           > 08 84 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EF128E1470, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001EF128E82D0, 16 bytes long.
 Data: <&#224;&#131;&#142; &#239;           > E0 83 8E 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EF128E83E0, 992 bytes long.
 Data: <&#208;&#130;&#142; &#239;   p &#142; &#239;   > D0 82 8E 12 EF 01 00 00 70 14 8E 12 EF 01 00 00 
{99} normal block at 0x000001EF128E18F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001EF128DFCD0, 16 bytes long.
 Data: < &#214;&#140; &#239;           > 90 D6 8C 12 EF 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001EF128CD690, 40 bytes long.
 Data: <&#208;&#252;  &#239;   &#240; &#142; &#239;   > D0 FC 8D 12 EF 01 00 00 F0 18 8E 12 EF 01 00 00 
{76} normal block at 0x000001EF128DFC80, 16 bytes long.
 Data: < &#234;&#158; &#247;           > 80 EA 9E 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001EF128DFA50, 16 bytes long.
 Data: <@&#233;&#158; &#247;           > 40 E9 9E 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001EF128E0090, 16 bytes long.
 Data: <&#248;W&#155; &#247;           > F8 57 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001EF128DFEB0, 16 bytes long.
 Data: <&#216;W&#155; &#247;           > D8 57 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001EF128DFA00, 16 bytes long.
 Data: <P &#155; &#247;           > 50 04 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EF128DF9B0, 16 bytes long.
 Data: <0 &#155; &#247;           > 30 04 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EF128DFC30, 16 bytes long.
 Data: <&#224; &#155; &#247;           > E0 02 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EF128DFBE0, 16 bytes long.
 Data: <  &#155; &#247;           > 10 04 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EF128DFF50, 16 bytes long.
 Data: <p &#155; &#247;           > 70 04 9B 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EF128DFE10, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 99 19 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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